N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C27H28N4O3S — CID 5168409

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C27H28N4O3S/c1-18-14-19(2)17-31(16-18)35(33,34)21-9-7-8-20(15-21)27(32)30-23-11-4-3-10-22(23)26-28-24-12-5-6-13-25(24)29-26/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,29)(H,30,32)
InChIKeyGCYKMFVPDBNVPZ-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.15
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 5168409) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID5168409
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C27H28N4O3S/c1-18-14-19(2)17-31(16-18)35(33,34)21-9-7-8-20(15-21)27(32)30-23-11-4-3-10-22(23)26-28-24-12-5-6-13-25(24)29-26/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,29)(H,30,32)
InChIKeyGCYKMFVPDBNVPZ-UHFFFAOYSA-N
XLogP5.15
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 112791112
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
N-(2,3-dimethylphenyl)-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2347527
N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2583459
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27602175
N-cyclopentyl-2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 16548323
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 5168409) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)C1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GCYKMFVPDBNVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-18-14-19(2)17-31(16-18)35(33,34)21-9-7-8-20(15-21)27(32)30-23-11-4-3-10-22(23)26-28-24-12-5-6-13-25(24)29-26/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,29)(H,30,32).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 488.61 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 5168409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).